1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine

C15H18N4O2 — CID 56771507

IUPAC1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)C1
InChIInChI=1S/C15H18N4O2/c16-11-2-1-5-19(8-11)15-7-12(17-18-15)10-3-4-13-14(6-10)21-9-20-13/h3-4,6-7,11H,1-2,5,8-9,16H2,(H,17,18)
InChIKeyRFLAYADMQYVPLM-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.73
Rot. Bonds2

About 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine

1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine (PubChem CID 56771507) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
PubChem CID56771507
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)C1
InChIInChI=1S/C15H18N4O2/c16-11-2-1-5-19(8-11)15-7-12(17-18-15)10-3-4-13-14(6-10)21-9-20-13/h3-4,6-7,11H,1-2,5,8-9,16H2,(H,17,18)
InChIKeyRFLAYADMQYVPLM-UHFFFAOYSA-N
XLogP1.73
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine (CID 56771507) is 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine is NC1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)C1.
What is the InChIKey of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The InChIKey is RFLAYADMQYVPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-11-2-1-5-19(8-11)15-7-12(17-18-15)10-3-4-13-14(6-10)21-9-20-13/h3-4,6-7,11H,1-2,5,8-9,16H2,(H,17,18).
What are the key properties of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine has a molecular weight of 286.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 56771507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).